Software Open Access
Brethomé, Alexandre;
Fletcher, Stephen P.;
Paton, Robert S.
<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Brethomé, Alexandre</dc:creator> <dc:creator>Fletcher, Stephen P.</dc:creator> <dc:creator>Paton, Robert S.</dc:creator> <dc:date>2018-09-24</dc:date> <dc:description>First public release of wSterimol - a series of plugins to automate the calculation of Boltzmann-weighted multidimensional Sterimol parameters for conformationally-flexible substituents</dc:description> <dc:identifier>https://zenodo.org/record/1434440</dc:identifier> <dc:identifier>10.5281/zenodo.1434440</dc:identifier> <dc:identifier>oai:zenodo.org:1434440</dc:identifier> <dc:relation>url:https://github.com/bobbypaton/wSterimol/tree/v.1.0.3</dc:relation> <dc:relation>doi:10.5281/zenodo.1434439</dc:relation> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>https://opensource.org/licenses/MIT</dc:rights> <dc:subject>sterimol</dc:subject> <dc:subject>steric parameters</dc:subject> <dc:subject>cheminformatics</dc:subject> <dc:subject>pymol plugin</dc:subject> <dc:subject>physical organic chemistry</dc:subject> <dc:title>wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents</dc:title> <dc:type>info:eu-repo/semantics/other</dc:type> <dc:type>software</dc:type> </oai_dc:dc>
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